# qeirreps: An open-source program for Quantum ESPRESSO to compute irreducible representations of Bloch wavefunctions

@article{Matsugatani2021qeirrepsAO,
title={qeirreps: An open-source program for Quantum ESPRESSO to compute irreducible representations of Bloch wavefunctions},
author={Akishi Matsugatani and Seishiro Ono and Yusuke Nomura and Haruki Watanabe},
journal={Comput. Phys. Commun.},
year={2021},
volume={264},
pages={107948}
}
• Published 30 May 2020
• Materials Science
• Comput. Phys. Commun.
9 Citations

## Figures from this paper

### MagneticKP: A package for quickly constructing $\boldsymbol{k}\cdot\boldsymbol{p}$ models of magnetic and non-magnetic crystals

• Computer Science
• 2022
An e-cient algorithm to construct k · p e-ective Hamiltonians, which is much faster than the previously proposed algorithms, is proposed, and it works for both magnetic and nonmagnetic systems.

### A phonon irreducible representations calculator

• Physics, Education
• 2022
Zeying Zhang, Zhi-Ming Yu, 3 Gui-Bin Liu, 3, ∗ and Yugui Yao 3, † College of Mathematics and Physics, Beijing University of Chemical Technology, Beijing 100029, China Centre for Quantum Physics, Key

### High-Throughput Investigations of Topological and Nodal Superconductors.

• Physics
Physical review letters
• 2022
The theory of symmetry indicators has enabled database searches for topological materials in normal conducting phases, which has led to several encyclopedic topological material databases. To date,

### Two-dimensional weak topological insulators in inversion-symmetric crystals

• Physics
Physical Review B
• 2022
The Su-Schrieffer-Heeger (SSH) chain is an one-dimensional lattice that comprises two dimerized sublattices. Recently, Zhu, Prodan, and Ahn (ZPA) proposed in [L. Zhu, E. Prodan, and K. H. Ahn, Phys.

### Symmetry-Based Approach to Superconducting Nodes: Unification of Compatibility Conditions and Gapless Point Classifications

• Physics
Physical Review X
• 2022
Determination of the symmetry property of superconducting gaps has been a central issue in studies to understand the mechanisms of unconventional superconductivity. Although it is often difficult to

### Z2 -enriched symmetry indicators for topological superconductors in the 1651 magnetic space groups

• Physics
Physical Review Research
• 2021
While the symmetry-based diagnosis of topological insulators and semimetals has enabled large-scale discovery of topological materials candidates, the extension of these approaches to the diagnosis

## References

SHOWING 1-10 OF 92 REFERENCES

### Symmetry-based indicators for topological Bogoliubov–de Gennes Hamiltonians

• Physics
Physical Review B
• 2020
Determining the topological phases in crystalline systems requires a complete set of topological invariants, whose definition and evaluation is, in general, a complicated task. Symmetry-based

### Atiyah-Hirzebruch Spectral Sequence in Band Topology: General Formalism and Topological Invariants for 230 Space Groups

• Mathematics
• 2018
We study the Atiyah-Hirzebruch spectral sequence (AHSS) for equivariant K-theory in the context of band theory. Various notions in the band theory such as irreducible representations at

### Topological states from topological crystals

• Mathematics, Physics
• 2019
This work explicitly enumerates all inequivalent topological crystals for noninteracting time-reversal symmetric electronic insulators with spin-orbit coupling and any one of the 230 space groups, which gives topological crystalline insulators a full classification.

### Variants of the symmetry-based indicator.

The symmetry-based indicator [H. C. Po, A. Vishwanath, H. Watanabe, Nat. Commun. 8, 50 (2017)] is a practical tool to diagnose topological materials in the band theory. In this note, we present two

### $\texttt{Spglib}$: a software library for crystal symmetry search

• Computer Science
• 2018
The aim of this text is to provide the algorithm details to those people who are interested in inside-$\texttt{spglib}$.

### and K

• a. Persson, APL Materials 1, 011002
• 2013

• Physics